4-(Pyridin-3-yl)pyrimidin-2-amine

CAS NO.：66521-66-2
Empirical Formula: C9H8N4
Molecular Weight: 172.19
MDL number: MFCD01317832
EINECS: 1312995-182-4
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-13 11:39:26

What is 4-(Pyridin-3-yl)pyrimidin-2-amine?

Chemical properties

White to off-white or brown solid.

The Uses of 4-(Pyridin-3-yl)pyrimidin-2-amine

Intermediate in the preparation of Nilotinib.

Synthesis

3-(Dimethylamino)-1-(pyridine-3-yl) prop-2-en-1-one (15.4 g, 0.088 mol), guanidine nitrate (10.7 g, 0.088 mol), and sodium hydroxide (3.5 g, 0.088 mol) were dissolved in n-butanol (120 mL). The mixture was heated to reflux with stirring and maintained for 16 hours. The reaction mixture was then cooled to room temperature. The solid was collected and washed with water (400 mL). The desired product was dried under vacuum for three days, and 12.7 g of yellow crystals of 4-(Pyridin-3-yl)pyrimidin-2-amine was obtained (yield: 85 %).

Properties of 4-(Pyridin-3-yl)pyrimidin-2-amine

Melting point:	189-191 °C
Boiling point:	439.9±37.0 °C(Predicted)
Density	1.259±0.06 g/cm3(Predicted)
storage temp.	under inert gas (nitrogen or Argon) at 2–8 °C
solubility	DMSO (Slightly), Methanol (Slightly)
form	Solid
pka	2.76±0.10(Predicted)
color	Off-White to Pale Yellow
InChI	InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)

Safety information for 4-(Pyridin-3-yl)pyrimidin-2-amine

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention.